3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide

C14H19N3O3 — CID 103145444

IUPAC3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)CCNC1CC1
InChIInChI=1S/C14H19N3O3/c1-9-8-13(17(19)20)10(2)7-12(9)16-14(18)5-6-15-11-3-4-11/h7-8,11,15H,3-6H2,1-2H3,(H,16,18)
InChIKeyQRYDROSLDMDSSN-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.29
Rot. Bonds6

About 3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide

3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide (PubChem CID 103145444) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide
PubChem CID103145444
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)CCNC1CC1
InChIInChI=1S/C14H19N3O3/c1-9-8-13(17(19)20)10(2)7-12(9)16-14(18)5-6-15-11-3-4-11/h7-8,11,15H,3-6H2,1-2H3,(H,16,18)
InChIKeyQRYDROSLDMDSSN-UHFFFAOYSA-N
XLogP2.29
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylamino)-N-(4,5-dimethyl-2-nitrophenyl)propanamide
CID 62098274
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 103145405
3-[3-(cyclopropylamino)propanoylamino]-4-methylbenzoic acid
CID 60867475
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694
4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide
CID 60868168
3-(5-chloro-2-methyl-4-nitroanilino)-N-cyclopropylpropanamide
CID 115555993
4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide
CID 103145443
5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
CID 104757782
1-(2,5-dimethyl-4-nitrophenyl)-3-(oxolan-3-yl)urea
CID 103145299
N-(2,5-dimethyl-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 103145465

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide (CID 103145444) is 3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide is Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide?
The InChIKey is QRYDROSLDMDSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-8-13(17(19)20)10(2)7-12(9)16-14(18)5-6-15-11-3-4-11/h7-8,11,15H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide?
3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide has a molecular weight of 277.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide is sourced from PubChem (CID 103145444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).